SCHEMBL27756134

SCHEMBL27756134

C=Cc1cc([N+](=O)[O-])cc2c1N(c1ccc(F)cc1)C(C=O)C(C)(C)O2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ PMM2 O15305 1/20 0.31
▸ MPI P34949 1/20 0.31
▸ PHOSPHO1 Q8TCT1 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27756117 0.86 MAPK14 (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735501 0.86 POLB (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735492 0.86 POLB (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756137 0.85 HSD11B1 (0.33) HSD11B1
SCHEMBL27735513 0.84 PTGS1 (0.35) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27735516 0.83 PMM2 (0.32) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL27756111 0.83 POLB (0.34) POLBHSD11B1PMM2MPIPHOSPHO1
SCHEMBL754778 0.76 NR3C2 (0.43) POLBPMM2MPIPHOSPHO1
SCHEMBL27756121 0.73 ALDH1A1 (0.35) POLB
SCHEMBL27735498 0.72 HSD11B1 (0.34) HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101379048-B Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP 2012-03-21 — — CN disclosed
CN-101379048-A Benzo  oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORP (JP) 2009-03-04 — — CN disclosed
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